9,9,10-triphenyl-4-[10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-yl-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]acridine

C105H68N2 — CID 155334465

About 9,9,10-triphenyl-4-[10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-yl-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]acridine

9,9,10-triphenyl-4-[10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-yl-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]acridine (PubChem CID 155334465) has the molecular formula C105H68N2 and a molecular weight of 1357.71 g/mol. Its IUPAC name is 9,9,10-triphenyl-4-[10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-yl-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]acridine.

Molecular Properties

• Compound Name: 9,9,10-triphenyl-4-[10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-yl-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]acridine
• PubChem CID: 155334465
• Molecular Formula: C105H68N2
• Molecular Weight: 1357.71 g/mol
• Exact Mass: 1356.54
• IUPAC Name: 9,9,10-triphenyl-4-[10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-yl-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]acridine
• SMILES: c1ccc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3cccc(-c4cccc5c(-c6cccc7c6-c6c(ccc8ccccc68)C76c7ccccc7-c7ccccc76)c6cccc(-c7cccc8c7N(c7ccccc7)c7ccccc7C8(c7ccccc7)c7ccccc7)c6cc45)c32)cc1
• InChI: InChI=1S/C105H68N2/c1-7-35-70(36-8-1)103(71-37-9-2-10-38-71)90-59-25-27-64-96(90)106(74-43-15-5-16-44-74)101-83(54-31-62-94(101)103)77-50-29-52-81-86(77)68-87-78(84-55-32-63-95-102(84)107(75-45-17-6-18-46-75)97-65-28-26-60-91(97)104(95,72-39-11-3-12-40-72)73-41-13-4-14-42-73)51-30-53-82(87)98(81)85-56-33-61-92-100(85)99-76-47-20-19-34-69(76)66-67-93(99)105(92)88-57-23-21-48-79(88)80-49-22-24-58-89(80)105/h1-68H
• InChIKey: HWMYWNNAIJHNEA-UHFFFAOYSA-N
• XLogP: 26.82
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1357.71
LogP ≤ 5	26.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9,9,10-triphenyl-4-[10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-yl-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]acridine?

The IUPAC name of 9,9,10-triphenyl-4-[10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-yl-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]acridine (CID 155334465) is 9,9,10-triphenyl-4-[10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-yl-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]acridine.

What is the SMILES notation for 9,9,10-triphenyl-4-[10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-yl-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]acridine?

The canonical SMILES for 9,9,10-triphenyl-4-[10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-yl-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]acridine is c1ccc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3cccc(-c4cccc5c(-c6cccc7c6-c6c(ccc8ccccc68)C76c7ccccc7-c7ccccc76)c6cccc(-c7cccc8c7N(c7ccccc7)c7ccccc7C8(c7ccccc7)c7ccccc7)c6cc45)c32)cc1.

What is the InChIKey of 9,9,10-triphenyl-4-[10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-yl-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]acridine?

The InChIKey is HWMYWNNAIJHNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H68N2/c1-7-35-70(36-8-1)103(71-37-9-2-10-38-71)90-59-25-27-64-96(90)106(74-43-15-5-16-44-74)101-83(54-31-62-94(101)103)77-50-29-52-81-86(77)68-87-78(84-55-32-63-95-102(84)107(75-45-17-6-18-46-75)97-65-28-26-60-91(97)104(95,72-39-11-3-12-40-72)73-41-13-4-14-42-73)51-30-53-82(87)98(81)85-56-33-61-92-100(85)99-76-47-20-19-34-69(76)66-67-93(99)105(92)88-57-23-21-48-79(88)80-49-22-24-58-89(80)105/h1-68H.

What are the key properties of 9,9,10-triphenyl-4-[10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-yl-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]acridine?

9,9,10-triphenyl-4-[10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-yl-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]acridine has a molecular weight of 1357.71 g/mol, XLogP of 26.82, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9,10-triphenyl-4-[10-spiro[benzo[c]fluorene-7,9'-fluorene]-11-yl-8-(9,9,10-triphenylacridin-4-yl)anthracen-1-yl]acridine is sourced from PubChem (CID 155334465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).